SCHEMBL30940504

SCHEMBL30940504

CSc1cccnc1Nc1c(C(N)=O)nnc(Nc2ccn(C)n2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
PIK3CA P42336 3/20 0.35
MTOR P42345 3/20 0.35
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
GCK P35557 6/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PLK2 Q9NYY3 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.31
PDE4B Q07343 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21002298 1.00 GRM5 (0.42) GRM5L3MBTL1PIK3CAMTORPRKD1
SCHEMBL30940505 0.84 GCK (0.39) PIK3CAMTORPRKD1PRKD2GCK
SCHEMBL29260143 0.84 GCK (0.39) PIK3CAMTORPRKD1PRKD2GCK
SCHEMBL21001866 0.82 GRM5 (0.38) GRM5L3MBTL1PIK3CAMTORPRKD1
SCHEMBL30940508 0.74 TYK2 (0.46) TYK2
SCHEMBL20985328 0.74 TYK2 (0.46) TYK2
SCHEMBL21002217 0.73 GRM5 (0.44) GRM5L3MBTL1CCNA2CDK2PLK1
SCHEMBL30940532 0.73 GRM5 (0.44) GRM5L3MBTL1CCNA2CDK2PLK1
SCHEMBL20985235 0.72 TYK2 (0.50) TYK2
SCHEMBL20985324 0.69 SYK (0.51) GRM5L3MBTL1NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315737-B Heteroaryl compounds substituted with sulfone pyridinylalkylamides 百时美施贵宝公司 2024-06-18 CN disclosed